N-(3,4-dimethoxyphenyl)-1-methyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine

Systemtic Name: N-(3,4-dimethoxyphenyl)-1-methyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine Openeye Name: N-(3,4-dimethoxyphenyl)-1-methyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-6-amine CAS Name: N-(3,4-dimethoxyphenyl)-1-methyl-4-(1-pyrrolidinyl)-6-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(3,4-dimethoxyphenyl)-1-methyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-6-amine Traditional Name: (3,4-dimethoxyphenyl)-(1-methyl-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-6-yl)amine Formula: C18H22N6O2 MolecularWeight: 354.40628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)OC)OC)N4CCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC(=N2)NC3=CC(=C(C=C3)OC)OC)N4CCCC4

InChI

InChI=1S/C18H22N6O2/c1-23-16-13(11-19-23)17(24-8-4-5-9-24)22-18(21-16)20-12-6-7-14(25-2)15(10-12)26-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21,22)